4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid

C20H29NO4 — CID 119247037

IUPAC4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid
SMILESCC(CC1CCCC1)C(=O)NCc1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C20H29NO4/c1-15(13-16-5-2-3-6-16)20(24)21-14-17-8-10-18(11-9-17)25-12-4-7-19(22)23/h8-11,15-16H,2-7,12-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyPLCDDBJBOVYPNO-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.76
Rot. Bonds10

About 4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid

4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid (PubChem CID 119247037) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid
PubChem CID119247037
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid
SMILESCC(CC1CCCC1)C(=O)NCc1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C20H29NO4/c1-15(13-16-5-2-3-6-16)20(24)21-14-17-8-10-18(11-9-17)25-12-4-7-19(22)23/h8-11,15-16H,2-7,12-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyPLCDDBJBOVYPNO-UHFFFAOYSA-N
XLogP3.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid with MolForge

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Related Compounds

4-[4-[(2-methylpentanoylamino)methyl]phenoxy]butanoic acid
CID 119247320
2-[4-[2-[(3-cyclopentyl-2-methylpropanoyl)amino]ethyl]phenoxy]acetic acid
CID 119255457
4-[4-[(2-ethylbutanoylamino)methyl]phenoxy]butanoic acid
CID 119247314
N-benzyl-3-cyclopropyl-2-methylpropanamide
CID 11218218
4-[4-[[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]methyl]phenoxy]butanoic acid
CID 119247135
3-cyclopentyl-2-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 86950147
4-[4-[[(1-methylcycloheptanecarbonyl)amino]methyl]phenoxy]butanoic acid
CID 120527502
4-[4-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247130
N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide
CID 73253877
4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247424
4-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247341
2-methyl-3-(methylamino)-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714366

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid?
The IUPAC name of 4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid (CID 119247037) is 4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid.
What is the SMILES notation for 4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid?
The canonical SMILES for 4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid is CC(CC1CCCC1)C(=O)NCc1ccc(OCCCC(=O)O)cc1.
What is the InChIKey of 4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid?
The InChIKey is PLCDDBJBOVYPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-15(13-16-5-2-3-6-16)20(24)21-14-17-8-10-18(11-9-17)25-12-4-7-19(22)23/h8-11,15-16H,2-7,12-14H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid?
4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid has a molecular weight of 347.46 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid is sourced from PubChem (CID 119247037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).